3,4,3-LI(1,2-HOPO) interaction with calcium: a multinuclear NMR study.

Abstract

3,4,3-LI(1,2-HOPO) is a chelator developed for the decorporation of radioactive metals and will therefore inevitably encounter calcium ions in vivo. The structure of its aqueous calcium-complex is elucidated by nuclear magnetic resonance (NMR) spectroscopy including 1H-, 13C-, 15N-, and 43Ca-NMR, supported by density functional theory (DFT) calculations.

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